NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4993 0.0000 0.0000 61.8092 33.0262 176.7531 3 R 4.7362 7.4379 115.6168 53.2788 35.9318 172.6829 4 L 5.0710 9.5060 119.3982 53.1197 46.7538 176.0513 5 K 4.6494 8.9644 122.8108 54.8129 33.8723 175.2886 6 V 4.7002 8.2632 120.2970 60.0112 34.1675 175.2314 7 K 5.4453 8.7881 123.9767 53.7716 35.5598 174.9816 8 L 4.3289 8.6945 130.2466 55.5565 42.6152 177.0606 9 V 4.7719 8.6677 118.8503 60.2069 33.4381 176.0008 10 K 4.4278 7.7126 121.2691 54.0284 34.8093 175.3500 11 S 4.0282 8.9500 120.3413 58.8177 62.6223 171.9349 12 P 4.5982 0.0000 0.0000 62.8376 31.4807 175.5245 13 I 4.0818 7.5969 120.3124 64.7578 35.4258 174.1146 14 G 3.5022 8.5519 115.5545 45.5670 0.0000 171.9840 15 Y 4.2344 7.8006 118.2159 56.1876 39.1862 173.8005 16 P 4.5442 0.0000 0.0000 62.1191 33.2641 177.5787 17 K 3.8519 8.6770 118.8478 60.1193 31.9196 178.9228 18 D 4.0786 8.2692 118.4787 57.0961 38.8902 178.8372 19 Q 4.0055 7.9322 118.4598 58.5803 29.1067 178.3495 20 K 4.0307 8.2107 119.3724 59.2213 31.7995 179.3206 21 A 4.0135 8.5997 121.3929 55.0118 18.4960 179.0549 22 A 4.0083 8.2329 119.5676 55.3520 18.4266 179.4959 23 L 3.8131 7.9115 116.5176 57.9538 41.8050 179.8961 24 K 3.8399 7.8758 118.4801 59.5914 31.9201 178.2090 25 A 3.9504 7.7741 119.3924 55.5996 18.3906 179.2757 26 L 4.0733 7.8336 115.6673 56.1581 41.6520 178.4935 27 G 3.9025 7.9282 105.7785 45.5556 0.0000 173.1662 28 L 4.6863 8.2189 119.2062 54.1220 42.6788 176.5991 29 R 4.3781 10.0076 120.5953 57.3480 32.5385 175.5145 30 R 4.6892 7.6604 112.8449 53.8952 33.3876 174.9009 31 L 4.3908 8.0814 117.8252 55.4705 42.8975 177.3510 32 Q 3.7559 9.4992 119.1243 56.9099 27.0312 172.5973 33 Q 4.6807 7.4311 120.0638 55.1913 30.5547 174.1085 34 E 5.2045 8.7287 125.5253 54.6281 31.9401 175.3714 35 R 4.5225 9.0112 124.3712 54.7733 33.5126 173.8960 36 V 4.5414 8.4951 120.0527 60.4637 32.9507 175.3406 37 L 4.9093 8.7649 124.4998 52.1812 46.2765 175.4781 38 E 4.1446 8.8249 121.2263 56.8989 30.2591 176.5600 39 D 4.9917 8.3453 122.9496 52.6421 39.5561 174.9581 40 T 4.7206 7.5367 111.6668 58.3932 72.3819 174.2166 41 P 4.2513 0.0000 0.0000 66.0145 31.0223 178.7527 42 A 3.9966 7.5850 118.2947 55.4450 18.4638 179.2984 43 I 3.8767 7.6997 117.9871 63.6018 37.4682 177.9309 44 R 3.9932 8.7007 119.7584 59.9619 29.7788 178.8218 45 G 3.8325 8.3938 103.9949 47.6944 0.0000 174.5882 46 N 4.5194 9.0086 120.1743 56.1535 39.1547 177.2378 47 V 3.5574 7.6008 119.2561 65.9459 31.5404 177.4092 48 E 3.9534 8.5828 118.8092 59.6332 29.1161 179.4660 49 K 4.0314 7.6708 118.3280 58.3457 32.7284 178.1236 50 V 4.2033 7.4749 112.3210 60.3082 32.6120 177.9422 51 A 3.9203 7.4570 121.8023 55.6292 18.4287 178.2990 52 H 4.2497 8.1487 110.9865 58.7860 28.7150 176.9288 53 L 3.8942 7.3829 120.1969 56.0891 41.7011 176.9271 54 V 4.7701 7.3290 117.0128 61.2188 34.0628 175.2655 55 R 4.6768 8.6849 122.6675 54.2700 32.7819 175.1207 56 V 4.7853 8.4405 123.2404 61.1168 34.0248 174.0121 57 E 4.7579 8.8436 126.5050 54.4163 33.9000 174.4011 58 V 4.5299 8.3901 122.9782 61.3849 33.1691 174.4495 59 V 4.3920 8.0746 128.5339 61.3718 35.6734 176.1533 *60 E 4.1603 8.5605 117.4445 56.0932 30.3181 174.4099 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 P 0.00 4.50 0.00 2.09 2.05 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 3 R 7.44 4.74 0.00 1.91 1.91 0.00 3.06 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 4 L 9.51 5.07 0.00 1.60 1.49 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.96 4.65 0.00 1.77 1.63 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.37 7.81 6 V 8.26 4.70 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.91 0.00 0.00 7 K 8.79 5.45 0.00 1.74 1.58 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.36 7.81 8 L 8.69 4.33 0.00 1.71 1.63 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.67 4.77 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.95 0.00 0.00 10 K 7.71 4.43 0.00 1.63 1.56 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.44 7.81 11 S 8.95 4.03 0.00 3.89 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.60 0.00 2.28 2.18 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 13 I 7.60 4.08 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.94 0.00 0.00 14 G 8.55 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.80 4.23 0.00 3.13 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.54 0.00 2.29 2.01 0.00 3.99 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 17 K 8.68 3.85 0.00 1.78 1.89 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.47 7.81 18 D 8.27 4.08 0.00 2.88 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.93 4.01 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 20 K 8.21 4.03 0.00 1.94 1.87 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.68 7.81 21 A 8.60 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.23 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.91 3.81 0.00 1.89 1.75 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.88 3.84 0.00 2.04 2.05 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.51 7.81 25 A 7.77 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.83 4.07 0.00 1.75 1.75 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.22 4.69 0.00 1.70 1.58 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 R 10.01 4.38 0.00 1.66 1.90 0.00 3.26 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 30 R 7.66 4.69 0.00 1.75 1.83 0.00 3.19 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 31 L 8.08 4.39 0.00 1.75 1.57 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.50 3.76 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 33 Q 7.43 4.68 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.09 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 34 E 8.73 5.20 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 35 R 9.01 4.52 0.00 1.80 1.70 0.00 3.20 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 36 V 8.50 4.54 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 37 L 8.76 4.91 0.00 1.53 1.51 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.82 4.14 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 39 D 8.35 4.99 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.54 4.72 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 41 P 0.00 4.25 0.00 2.17 2.16 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 42 A 7.58 4.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.70 3.88 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.90 0.00 0.00 44 R 8.70 3.99 0.00 1.97 1.96 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 45 G 8.39 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 9.01 4.52 0.00 2.96 2.79 0.00 0.00 6.71 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.60 3.56 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 48 E 8.58 3.95 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 49 K 7.67 4.03 0.00 1.70 1.99 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.50 7.81 50 V 7.47 4.20 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.93 0.00 0.00 51 A 7.46 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.15 4.25 0.00 3.23 3.47 0.00 5.73 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.38 3.89 0.00 1.49 1.71 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.33 4.77 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.93 0.00 0.00 55 R 8.68 4.68 0.00 1.88 1.77 0.00 3.12 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 56 V 8.44 4.79 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.91 0.00 0.00 57 E 8.84 4.76 0.00 2.06 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 58 V 8.39 4.53 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 59 V 8.07 4.39 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 *60 E 8.56 4.16 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.